1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propyl-piperazin-4-ium

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propyl-piperazin-4-ium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propyl-piperazin-4-ium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propylpiperazin-4-ium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propylpiperazin-4-ium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propyl-piperazin-4-ium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CCC[NH+]1CCN(CC1)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H24N2O2/c1-2-7-17-8-10-18(11-9-17)12-14-13-19-15-5-3-4-6-16(15)20-14/h3-6,14H,2,7-13H2,1H3/p+1/t14-/m0/s1